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Screening compounds

EP 045

Also known as Epo 45, 5-Heptenoic acid, 7-(3-((((phenylamino)carbonyl)hydrazono)methyl)bicyclo(2.2.1)hept-2-yl)-, (1S-(1alpha,2beta(Z),3alpha,4alpha))-, (Z)-7-[(1R,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

CAS 82597-51-1Formula C22H29N3O3Molar mass 383.49 g/mol
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EP 045 chemical structure, C22H29N3O3, CAS 82597-51-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82597-51-1
Formula
C22H29N3O3
Molar mass
383.49 g/mol
HS code
292800
Category
Screening compounds

What is EP 045?

Plain description, key identifiers and synonyms

EP 045 is a chemical substance with the molecular formula C22H29N3O3 and a molar mass of 383.49 g/mol. Its CAS registry number is 82597-51-1. The IUPAC name is (Z)-7-[(1R,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(Z)-7-[(1R,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CAS number
82597-51-1
Molecular formula
C22H29N3O3
InChIKey
QAGIQKFINYERQA-PIPMBJLUSA-N
InChI
InChI=1S/C22H29N3O3/c26-21(27)11-7-2-1-6-10-19-16-12-13-17(14-16)20(19)15-23-25-22(28)24-18-8-4-3-5-9-18/h1,3-6,8-9,15-17,19-20H,2,7,10-14H2,(H,26,27)(H2,24,25,28)/b6-1-,23-15+/t16-,17-,19-,20-/m1/s1
Canonical SMILES
O=C(O)CCCC=CCC1C2CCC(C2)C1C=NNC(=O)Nc1ccccc1
Isomeric SMILES
C1C[C@@H]2C[C@@H]1[C@H]([C@@H]2/C=N/NC(=O)NC3=CC=CC=C3)C/C=C\CCCC(=O)O

Synonyms

  • Epo 45
  • 5-Heptenoic acid, 7-(3-((((phenylamino)carbonyl)hydrazono)methyl)bicyclo(2.2.1)hept-2-yl)-, (1S-(1alpha,2beta(Z),3alpha,4alpha))-
  • (Z)-7-[(1R,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
383.49 g/molcalc.
Exact mass
383.2209 Dacalc.
LogP (octanol/water)
4.66calc.
Topological polar surface area
90.79 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
9calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(NN=CC1CC2CCC1C2)Nc1ccccc1

O=C(NN=CC1CC2CCC1C2)Nc1ccccc1

3 rings, 19 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

EP 045 suppliers

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EP 045 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code EP 045 is traded under.

HS 2928.00Indicative HS code

Organic derivatives of hydrazine or of hydroxylamine

World exports in 2024
$1.38B
−9.0% vs 2023, imports $1.52B
2019 to 2024
Top exporters
  1. Switzerland * partner reported44.0%
  2. China18.4%
  3. Italy9.4%
Top importers
  1. Brazil21.8%
  2. United States12.8%
  3. Italy10.8%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for EP 045 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about EP 045, based on the data on this page

What is EP 045?

EP 045 is a chemical substance with the molecular formula C22H29N3O3 and a molar mass of 383.49 g/mol. Its CAS registry number is 82597-51-1. The IUPAC name is (Z)-7-[(1R,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid.

What is the CAS number of EP 045?

The CAS registry number of EP 045 is 82597-51-1.

What is the molecular formula and weight of EP 045?

The molecular formula of EP 045 is C22H29N3O3 and its molar mass is 383.49 g/mol.

What is EP 045 used for?

Known uses and roles of EP 045 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is EP 045 hazardous?

No GHS hazard classification for EP 045 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of EP 045?

EP 045 is usually classified under HS code 292800 (Organic derivatives of hydrazine or of hydroxylamine). This is indicative, confirm it with your customs broker before shipping.

Where can I buy EP 045?

Post a free request on CompoundList and suppliers of EP 045 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of EP 045?

Suppliers quote EP 045 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle EP 045

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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